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P-588279527

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Name File
SDF P-588279527.sdf
SMILES P-588279527.smiles
Standard InChI P-588279527.inchi
InChIKey P-588279527.txt
Property Value
Components 1
Mass 290.267
logP 1.5461
H-bond acceptors 6
H-bond donors 5
Rotatable bonds 1
PSA 110.38
RO5 violations 0
RO3 violations 3
Refractivity 74.3338
Atoms 35
Rings 3
Heavy atoms 21
Hydrogen atoms 14
Heteroatoms 6
N/O atoms 6
Inorganic atoms 0
Halogen atoms 0
Chiral centers 2
R/S chiral centers 2
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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